| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
mPW1PW91/3-21G
| 10 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 8 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 6 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||||
| 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | 1.94 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.874 | 0.072 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SiC- | silicon monocarbide anion | 1.715 |
| Highest value | SiH3CCl3 | (trichloromethyl)silane | 1.928 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SiC- | silicon monocarbide anion | 1.715 | 1 | 2 |
| SiC | silicon monocarbide | 1.771 | 1 | 2 |
| CH2SiH2 | silaethylene | 1.732 | 1 | 2 |
| CH3SiH3 | methyl silane | 1.911 | 1 | 2 |
| SiC2 | Silicon dicarbide | 1.915 | 1 | 2 |
| 1.915 | 1 | 3 | ||
| SiH2(CH3)2 | dimethylsilane | 1.912 | 1 | 4 |
| 1.912 | 1 | 5 | ||
| SiH3CCl3 | (trichloromethyl)silane | 1.928 | 1 | 2 |
| SiCl3CH3 | methyltrichlorosilane | 1.870 | 1 | 2 |
| Si(CH3)4 | tetramethylsilane | 1.914 | 1 | 2 |
| 1.914 | 1 | 3 | ||
| 1.914 | 1 | 4 | ||
| 1.914 | 1 | 5 |